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137791-99-2 | 1,2-Cyclohexanedicarboperoxoic acid, di-tert-hexyl ester (9CI)
CAS No: 137791-99-2 Catalog No: AG0013UN MDL No:
Product Description
Catalog Number:
AG0013UN
Chemical Name:
1,2-Cyclohexanedicarboperoxoic acid, di-tert-hexyl ester (9CI)
CAS Number:
137791-99-2
Molecular Formula:
C20H36O6
Molecular Weight:
372.4962
IUPAC Name:
bis(2-methylpentan-2-yl) cyclohexane-1,2-dicarboperoxoate
InChI:
InChI=1S/C20H36O6/c1-7-13-19(3,4)25-23-17(21)15-11-9-10-12-16(15)18(22)24-26-20(5,6)14-8-2/h15-16H,7-14H2,1-6H3
InChI Key:
YCSKKHHXRBNTLE-UHFFFAOYSA-N
SMILES:
CCCC(OOC(=O)C1CCCCC1C(=O)OOC(CCC)(C)C)(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.251g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.502g/mol
Monoisotopic Mass:
372.251g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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